General Information of the Compound
| Compound ID |
CP0404939
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| Compound Name |
2-amino-N-[2-[[(3R)-1-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C21H21Cl2F3N4O2
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| Molecular Weight |
489.325
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| Canonical SMILES |
Nc1ccc(cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1)C(F)(F)F
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| InChI |
InChI=1S/C21H21Cl2F3N4O2/c22-14-3-1-12(17(23)8-14)10-30-6-5-15(11-30)29-19(31)9-28-20(32)16-7-13(21(24,25)26)2-4-18(16)27/h1-4,7-8,15H,5-6,9-11,27H2,(H,28,32)(H,29,31)/t15-/m1/s1
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| InChIKey |
JCLOGAKOGSQJRI-OAHLLOKOSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound